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Compound Detail

CHEMBL2023946

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CC(=O)c1sc(Nc2ccc(C#N)cc2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023946
Phase Preclinical
Structure Type MOL
InChI Key MZQXIWFPHWVSIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
3.27
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3OS
MW 257.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.33

Literature References

PubMed DOI Target Context # Activities
22516282 10.1016/j.bmcl.2012.03.013 Unchecked 2
22516282 10.1016/j.bmcl.2012.03.013 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine